7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

C50H31N5O — CID 146227252

IUPAC7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(33-16-5-2-6-17-33)55(52-49)36-26-27-45-40(29-36)37-20-7-10-23-43(37)53(45)34-18-13-19-35(28-34)54-44-24-11-8-21-38(44)41-30-42-39-22-9-12-25-47(39)56-48(42)31-46(41)54/h1-31H
InChIKeyPSWWQXSIEVERFL-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 146227252) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID146227252
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(33-16-5-2-6-17-33)55(52-49)36-26-27-45-40(29-36)37-20-7-10-23-43(37)53(45)34-18-13-19-35(28-34)54-44-24-11-8-21-38(44)41-30-42-39-22-9-12-25-47(39)56-48(42)31-46(41)54/h1-31H
InChIKeyPSWWQXSIEVERFL-UHFFFAOYSA-N
XLogP12.69
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226861
12-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226741
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226703
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
14-[2-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226966
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
9-[3-[5-(3-carbazol-9-ylphenyl)-1-(9H-fluoren-3-yl)-1,2,4-triazol-3-yl]phenyl]carbazole;1-[8-[8-(3,5-diphenyl-1,2,4-triazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-3,5-diphenyl-1,2,4-triazole;1-[6-(3,5-diphenyl-1,2,4-triazol-1-yl)-9H-fluoren-3-yl]-3,5-diphenyl-1,2,4-triazole;1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole;9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 159344789
7-[2-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227084

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole (CID 146227252) is 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)n2)cc1.
What is the InChIKey of 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is PSWWQXSIEVERFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(33-16-5-2-6-17-33)55(52-49)36-26-27-45-40(29-36)37-20-7-10-23-43(37)53(45)34-18-13-19-35(28-34)54-44-24-11-8-21-38(44)41-30-42-39-22-9-12-25-47(39)56-48(42)31-46(41)54/h1-31H.
What are the key properties of 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 717.83 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146227252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).